3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C15H19N3O4 — CID 78782618

IUPAC3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCC(=O)N2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-11-9-12(5-6-13(11)18(21)22)15(20)16-10-14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)
InChIKeyLNYLUHULCQBODZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.65
Rot. Bonds4

About 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 78782618) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID78782618
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCC(=O)N2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-11-9-12(5-6-13(11)18(21)22)15(20)16-10-14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)
InChIKeyLNYLUHULCQBODZ-UHFFFAOYSA-N
XLogP1.65
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122117427
6-[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514843
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107076483
3-methyl-4-nitro-N-[2-oxo-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 112813031
N-[(2S)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 83030965
N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 100683029
N-(2-amino-2-methylpropyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119628423
3-methyl-4-nitro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902300
1-[2-[(4-methyl-3-nitrobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41445973
[2-(azepan-1-yl)-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 78782618) is 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is Cc1cc(C(=O)NCC(=O)N2CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is LNYLUHULCQBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11-9-12(5-6-13(11)18(21)22)15(20)16-10-14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20).
What are the key properties of 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 305.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 78782618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).